(E)-3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(piperidine-1-carbonyl)acrylonitrile Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N3CCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H30N4O2/c1-3-16-34-25-12-13-26(21(2)17-25)27-23(20-32(30-27)24-10-6-4-7-11-24)18-22(19-29)28(33)31-14-8-5-9-15-31/h4,6-7,10-13,17-18,20H,3,5,8-9,14-16H2,1-2H3/b22-18+